Vitas-M small molecule compound
(7Z)-3-(4-ethoxyphenyl)-7-(3-nitrobenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one
Catalog ID
STK859757
SMILES CCOc1ccc(cc1)N1CN=c2n(C1)c(=O)/c(=C/c1cccc(c1)[N+](=O)[O-])/s2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c1-2-28-17-8-6-15(7-9-17)22-12-21-20-23(13-22)19(25)18(29-20)11-14-4-3-5-16(10-14)24(26)27/h3-11H,2,12-13H2,1H3/b18-11-InChIKey
QIIJKDHMTGSFMF-WQRHYEAKSA-NSynonyms
(7Z)3(4ETHOXYPHENYL)7((3NITROPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(4ethoxyphenyl)7(3nitrobenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)3(4ethoxyphenyl)7(3nitrobenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
CCOC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC(=CC=C4)(N+)(=O)(O))S3
CCOc1ccc(cc1)N1CN=c2n(C1)c(=O)c(=Cc1cccc(c1)(N+)(=O)(O))s2
InChI=1SC20H18N4O4Sc1228178615(7917)2212212023(1322)19(25)18(2920)111443516(1014)24(26)27h311H21213H21H3b1811
MFCD02923224
ZINC000001181599
ZINC01181599
ZINC1181599
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